0 mol 18 unq 0 iso 0 dist 6.79099 6.27914 6.39243 7.67828 7.55766 6.43155 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.79099 11.864 9.1715 7.67828 7.55766 10.2305 numMergedOcc 0
2 mol 33 unq 0 iso 0 dist 7.15141 8.8538 9.00543 6.96521 9.63263 12.5123 numMergedOcc 0
3 mol 42 unq 0 iso 0 dist 8.04675 7.39458 6.86731 6.30917 9.16649 8.13252 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 7.68916 5.20613 5.26018 9.24617 9.66501 11.8848 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 7.68916 12.9528 7.1203 9.24617 9.66501 8.65709 numMergedOcc 0
6 mol 52 unq 2 iso 0 dist 7.47417 9.16378 5.26018 5.10567 9.66501 11.8848 numMergedOcc 0
7 mol 52 unq 3 iso 0 dist 7.47417 9.86407 7.1203 5.10567 9.66501 8.65709 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 6.6606 11.5107 9.20523 5.6194 7.9814 7.80321 numMergedOcc 0
9 mol 70 unq 0 iso 0 dist 9.74268 14.243 7.63663 7.98177 6.54023 6.69775 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 8.28737 13.6156 5.56964 6.38454 4.79949 8.88275 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 8.28737 13.6156 5.56964 11.5407 7.27693 7.18485 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 5.09688 8.20567 8.92577 5.25231 9.00544 9.57933 numMergedOcc 0
13 mol 100 unq 1 iso 0 dist 5.09688 8.20567 8.92577 6.16378 7.12017 7.04774 numMergedOcc 0
14 mol 100 unq 2 iso 0 dist 5.09688 5.65432 9.56324 5.25231 9.00544 6.95888 numMergedOcc 0
15 mol 100 unq 3 iso 0 dist 5.09688 5.65432 9.56324 6.16378 7.12017 10.3606 numMergedOcc 0
16 mol 100 unq 4 iso 0 dist 9.26343 10.4985 8.92577 8.90536 9.00544 9.57933 numMergedOcc 0
17 mol 100 unq 5 iso 0 dist 9.26343 10.4985 8.92577 5.69359 7.12017 7.04774 numMergedOcc 0
18 mol 100 unq 6 iso 0 dist 9.26343 6.03516 9.56324 8.90536 9.00544 6.95888 numMergedOcc 0
19 mol 100 unq 7 iso 0 dist 9.26343 6.03516 9.56324 5.69359 7.12017 10.3606 numMergedOcc 0
20 mol 119 unq 0 iso 0 dist 8.59784 7.11469 8.62648 12.9632 8.56342 8.9683 numMergedOcc 0
21 mol 119 unq 1 iso 0 dist 8.59784 7.11469 8.62648 4.31572 6.37542 5.50673 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 6.38977 5.7687 9.33945 6.53994 8.86329 11.8905 numMergedOcc 0
23 mol 134 unq 0 iso 0 dist 6.99089 9.32667 5.57904 5.50042 5.53031 5.98568 numMergedOcc 0
24 mol 141 unq 0 iso 0 dist 4.93035 5.38959 7.34465 5.74529 6.69515 7.97183 numMergedOcc 0
25 mol 141 unq 1 iso 0 dist 9.75558 5.38959 9.47675 5.74529 7.86572 7.97183 numMergedOcc 0
26 mol 159 unq 0 iso 0 dist 7.78695 6.34823 7.47975 6.47213 7.25742 9.78249 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 6.18486 7.61598 7.71761 5.98086 5.87815 8.14937 numMergedOcc 0
28 mol 238 unq 0 iso 0 dist 7.2527 11.2481 5.67917 9.87539 6.66971 6.85179 numMergedOcc 0
29 mol 238 unq 1 iso 0 dist 9.29203 14.3786 5.67917 10.4401 6.66971 6.85179 numMergedOcc 0
30 mol 238 unq 2 iso 0 dist 7.62771 14.3786 8.96639 10.4401 6.4398 6.85179 numMergedOcc 0
31 mol 272 unq 0 iso 0 dist 7.66615 13.1178 7.31993 6.43352 9.19033 11.4436 numMergedOcc 0
